ethyl (3R)-1-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-3-carboxylate CAS Name: (3R)-1-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]nipecotic acid ethyl ester Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCCC(C2)C(=O)OCC)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCC[C@H](C2)C(=O)OCC)C3=CC=NC=C3

InChI

InChI=1S/C18H25N5O2S/c1-3-22-16(14-7-9-19-10-8-14)20-23(18(22)26)13-21-11-5-6-15(12-21)17(24)25-4-2/h7-10,15H,3-6,11-13H2,1-2H3/t15-/m1/s1